1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione

C11H11N3O4 — CID 62637979

IUPAC1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCC1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N1C
InChIInChI=1S/C11H11N3O4/c1-7-10(15)13(11(16)12(7)2)8-4-3-5-9(6-8)14(17)18/h3-7H,1-2H3
InChIKeyCYFZPSNOJSMBSA-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.38
Rot. Bonds2

About 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione

1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 62637979) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione
PubChem CID62637979
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCC1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N1C
InChIInChI=1S/C11H11N3O4/c1-7-10(15)13(11(16)12(7)2)8-4-3-5-9(6-8)14(17)18/h3-7H,1-2H3
InChIKeyCYFZPSNOJSMBSA-UHFFFAOYSA-N
XLogP1.38
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione (CID 62637979) is 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione is CC1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N1C.
What is the InChIKey of 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is CYFZPSNOJSMBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-7-10(15)13(11(16)12(7)2)8-4-3-5-9(6-8)14(17)18/h3-7H,1-2H3.
What are the key properties of 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione?
1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 62637979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).